N-[2-[1-[(6-fluoranylquinolin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: N-[2-[1-[(6-fluoranylquinolin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-[(6-fluoro-2-quinolyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: N-[2-[1-[(6-fluoro-2-quinolinyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: N-[2-[1-[(6-fluoroquinolin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-[(6-fluoro-2-quinolyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C25H25FN5O+ MolecularWeight: 430.497303

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=NC5=C(C=C4)C=C(C=C5)F

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=NC5=C(C=C4)C=C(C=C5)F

InChI

InChI=1S/C25H24FN5O/c26-20-7-9-23-19(16-20)6-8-21(28-23)17-30-14-11-22(12-15-30)31-24(10-13-27-31)29-25(32)18-4-2-1-3-5-18/h1-10,13,16,22H,11-12,14-15,17H2,(H,29,32)/p+1